5-(azepane-1-carbonyl)-1-methyl-3,8-dipropylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
Chemical Structure Depiction of
5-(azepane-1-carbonyl)-1-methyl-3,8-dipropylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
5-(azepane-1-carbonyl)-1-methyl-3,8-dipropylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
Compound characteristics
| Compound ID: | F668-0530 |
| Compound Name: | 5-(azepane-1-carbonyl)-1-methyl-3,8-dipropylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H30 N4 O4 |
| Smiles: | CCCN1C2=C(C(=CC1=O)C(N1CCCCCC1)=O)C(N(CCC)C(N2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2443 |
| logD: | 2.2443 |
| logSw: | -2.1219 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.009 |
| InChI Key: | PXATURWLDHSXTP-UHFFFAOYSA-N |